Compound Identification
SMILES
COC1=CC=CC=C1NC1=NC(=CS1)C1=C(C)N=C(NC(=O)C2=CC(Cl)=CC=C2)S1
InChIKey
InChIKey=WEVIUDQBIDQGJN-UHFFFAOYSA-N
Formula
C21H17ClN4O2S2
Mass
456.96
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
3-halobenzoic acids and derivatives
Alternative Parents
Benzamides Methoxyanilines 2,4,5-trisubstituted thiazoles Anisoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes 2,4-disubstituted thiazoles Alkyl aryl ethers Chlorobenzenes Aryl chlorides 2-amino-1,3-thiazoles Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Secondary amines Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Methoxyaniline - Phenol ether - Benzoyl - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Aniline or substituted anilines - Methoxybenzene - Anisole - 2,4-disubstituted 1,3-thiazole - Halobenzene - Chlorobenzene - Alkyl aryl ether - 1,3-thiazol-2-amine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azole - Thiazole - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Ether - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organochloride - Amine - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available